SCHEMBL982608

SCHEMBL982608

O=C(Cc1ccc(F)cc1)N1CCC(c2ccc(N3CCOCC3)cc2)=N1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
ME2 P23368 1/20 0.48
ME1 P48163 1/20 0.48
ME3 Q16798 1/20 0.48
MAPT P10636 5/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
AKR1C3 P42330 1/20 0.44
MAOB P27338 1/20 0.44
AKT1 P31749 1/20 0.43
PIK3CA P42336 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 1/20 0.42
SRC P12931 1/20 0.41
NPC1 O15118 1/20 0.40
MAOA P21397 1/20 0.40
KDM4E B2RXH2 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL982270 0.89 SMN1; SMN2 (0.52) POLBME2ME1ME3MAPT
SCHEMBL980870 0.88 MAOB (0.53) POLBME2ME1ME3MAPT
SCHEMBL982228 0.86 ALDH1A1 (0.61) MAPTL3MBTL1AKR1C3MAOBALDH1A1
SCHEMBL981737 0.83 ME2 (0.51) POLBME2ME1ME3MAPT
SCHEMBL981953 0.82 MEN1 (0.52) POLBMAPTMEN1KMT2AL3MBTL1
SCHEMBL982174 0.82 MAOB (0.51) POLBMEN1KMT2AMAOBALDH1A1
SCHEMBL12922889 0.82 MAOB (0.50) POLBMAPTL3MBTL1MAOBALDH1A1
SCHEMBL982366 0.80 SMN1; SMN2 (0.68) POLBMAPTMEN1KMT2AL3MBTL1
SCHEMBL980195 0.80 SMN1; SMN2 (0.68) POLBMAPTMEN1KMT2AL3MBTL1
SCHEMBL1027180 0.80 MAOB (0.48) POLBMAPTMAOBALDH1A1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1917248-B1 1-ACYLDIHYDROPYRAZOL DERIVATIVES MERCK PATENT GMBH (DE) 2015-08-19 EP claimed
US-7875644-B2 tyrosine kinase inhibitors, in particular Met kinase; antitumor agents;1-(Benzo-1,2,5-thiadiazol-5-ylmethylcarbonyl)-3-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole; leukemia, carcinomas MERCK PATENT GMBH (DE) 2011-01-25 US claimed
US-20080249095-A1 1-Acyldihydropyrazole Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-10-09 US claimed
EP-1917248-B1 1-ACYLDIHYDROPYRAZOL DERIVATIVES MERCK PATENT GMBH (DE) 2015-08-19 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080249095-A1 1-Acyldihydropyrazole Derivatives MET, FLT3, ERBB3 POLB 3230/4885ME2 440/4885ME1 810/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.